(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene

C15H22O2 — CID 15043234

IUPAC(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene
SMILESC=C(C)[C@]12CC[C@](C)(O1)[C@@H]1CCC(C)=C[C@H]1O2
InChIInChI=1S/C15H22O2/c1-10(2)15-8-7-14(4,17-15)12-6-5-11(3)9-13(12)16-15/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyZMHISHRHYGBSCM-KBXIAJHMSA-N
MW234.34 g/mol
LogP3.58
Rot. Bonds1

About (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene

(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene (PubChem CID 15043234) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene.

Molecular Properties

Compound Name(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene
PubChem CID15043234
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene
SMILESC=C(C)[C@]12CC[C@](C)(O1)[C@@H]1CCC(C)=C[C@H]1O2
InChIInChI=1S/C15H22O2/c1-10(2)15-8-7-14(4,17-15)12-6-5-11(3)9-13(12)16-15/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyZMHISHRHYGBSCM-KBXIAJHMSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene?
The IUPAC name of (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene (CID 15043234) is (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene.
What is the SMILES notation for (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene?
The canonical SMILES for (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene is C=C(C)[C@]12CC[C@](C)(O1)[C@@H]1CCC(C)=C[C@H]1O2.
What is the InChIKey of (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene?
The InChIKey is ZMHISHRHYGBSCM-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)15-8-7-14(4,17-15)12-6-5-11(3)9-13(12)16-15/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene?
(1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene has a molecular weight of 234.34 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,9S)-1,5-dimethyl-9-prop-1-en-2-yl-8,12-dioxatricyclo[7.2.1.02,7]dodec-5-ene is sourced from PubChem (CID 15043234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).